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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM267528'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM267528
PNG
((R)-4-(8-amino-3-(1-(3,3-difluorocyclobutanecarbon...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)CN1CCOC1=O |r|
Show InChI InChI=1S/C31H32N8O4/c32-28-27-26(20-5-7-21(8-6-20)30(41)35-24-16-22(9-10-33-24)19-3-4-19)36-29(39(27)13-11-34-28)23-2-1-12-37(17-23)25(40)18-38-14-15-43-31(38)42/h5-11,13,16,19,23H,1-4,12,14-15,17-18H2,(H2,32,34)(H,33,35,41)/t23-/m1/s1
PDB
MMDB

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US Patent
n/an/an/an/a<10n/an/a7.225



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair